==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 29-MAY-04 1WJ9 . COMPND 2 MOLECULE: CRISPR-ASSOCIATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR A.EBIHARA,M.YAO,S.YOKOYAMA,S.KURAMITSU,RIKEN STRUCTURAL . 188 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10722.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 26.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 21 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 1 0 0 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 3 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A M 0 0 11 0, 0.0 84,-3.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 166.6 28.5 33.2 2.1 2 2 A W E -AB 63 84A 51 61,-2.7 61,-2.3 82,-0.3 2,-0.5 -0.997 360.0-158.9-131.6 132.5 26.6 36.5 2.1 3 3 A L E -AB 62 83A 42 80,-2.7 80,-2.7 -2,-0.4 2,-0.4 -0.966 9.3-176.1-115.5 129.5 26.0 38.6 5.2 4 4 A T E -A 61 0A 0 57,-2.9 57,-3.2 -2,-0.5 2,-0.6 -0.989 14.9-151.1-126.7 130.6 23.1 41.1 5.3 5 5 A K E -A 60 0A 110 -2,-0.4 75,-2.2 75,-0.3 2,-0.5 -0.901 16.8-170.7-100.1 120.2 22.4 43.5 8.2 6 6 A L E -AC 59 79A 0 53,-2.8 53,-3.1 -2,-0.6 2,-0.8 -0.946 13.2-158.3-113.2 130.3 18.8 44.3 8.4 7 7 A V E -AC 58 78A 30 71,-2.2 71,-2.5 -2,-0.5 51,-0.2 -0.912 23.8-141.1-107.4 99.1 17.5 47.1 10.8 8 8 A L E - C 0 77A 0 49,-1.9 69,-0.3 -2,-0.8 68,-0.1 -0.334 5.1-134.5 -63.4 141.1 13.9 46.2 11.3 9 9 A N > - 0 0 68 67,-2.4 3,-2.3 66,-0.1 6,-0.3 -0.875 6.8-158.7-100.4 107.9 11.4 49.1 11.5 10 10 A P T 3 S+ 0 0 50 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.494 87.3 76.6 -64.8 -1.2 9.0 48.7 14.4 11 11 A A T 3 S+ 0 0 80 64,-0.2 2,-0.5 65,-0.1 65,-0.1 0.676 81.6 84.6 -77.2 -20.3 6.6 51.1 12.6 12 12 A S S <> S- 0 0 24 -3,-2.3 4,-2.1 63,-0.2 5,-0.2 -0.763 70.1-154.7 -87.1 122.6 5.8 48.1 10.4 13 13 A R H > S+ 0 0 156 -2,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.885 98.2 51.7 -60.5 -42.0 3.2 45.7 11.8 14 14 A A H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.882 107.9 51.8 -62.9 -41.2 4.7 42.9 9.8 15 15 A A H > S+ 0 0 0 -6,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.908 110.6 48.2 -62.5 -42.2 8.2 43.6 11.2 16 16 A R H X S+ 0 0 112 -4,-2.1 4,-1.4 -7,-0.2 -2,-0.2 0.877 109.5 52.9 -65.9 -37.8 6.8 43.5 14.7 17 17 A R H X S+ 0 0 78 -4,-2.1 4,-0.8 1,-0.2 -2,-0.2 0.921 111.7 45.6 -62.6 -44.8 5.0 40.2 14.0 18 18 A D H < S+ 0 0 1 -4,-2.2 7,-0.5 1,-0.2 3,-0.5 0.868 108.7 55.7 -66.9 -38.1 8.2 38.7 12.8 19 19 A L H < S+ 0 0 43 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.805 112.5 44.1 -64.6 -27.6 10.2 40.0 15.7 20 20 A A H < S+ 0 0 81 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.566 117.6 44.3 -93.0 -13.0 7.7 38.3 18.0 21 21 A N >X - 0 0 58 -4,-0.8 4,-2.1 -3,-0.5 3,-0.9 -0.843 61.4-166.4-137.6 99.9 7.5 35.0 16.1 22 22 A P H 3> S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.827 91.7 59.0 -51.7 -37.7 10.8 33.4 14.9 23 23 A Y H 3> S+ 0 0 132 1,-0.2 4,-1.5 2,-0.2 -5,-0.1 0.885 108.4 44.7 -59.4 -42.1 8.9 31.0 12.7 24 24 A E H <> S+ 0 0 30 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.866 110.9 53.2 -71.3 -40.0 7.3 34.0 10.9 25 25 A M H X S+ 0 0 1 -4,-2.1 4,-2.7 -7,-0.5 5,-0.2 0.920 108.2 50.5 -61.9 -43.8 10.6 35.9 10.6 26 26 A H H X S+ 0 0 32 -4,-2.6 4,-2.3 154,-0.3 -1,-0.2 0.899 109.0 52.9 -60.9 -39.5 12.3 32.8 9.0 27 27 A R H X S+ 0 0 111 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.920 111.4 45.3 -61.2 -45.0 9.4 32.6 6.5 28 28 A T H >< S+ 0 0 15 -4,-2.3 3,-0.9 1,-0.2 4,-0.4 0.921 114.1 47.4 -66.0 -45.6 9.9 36.3 5.6 29 29 A L H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 4,-0.3 0.858 102.7 64.6 -64.9 -34.9 13.6 36.0 5.2 30 30 A S H >< S+ 0 0 23 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.759 88.0 70.4 -59.4 -26.5 13.3 32.8 3.2 31 31 A K G X< S+ 0 0 108 -3,-0.9 3,-0.9 -4,-0.7 -1,-0.3 0.813 89.1 62.0 -61.5 -31.4 11.6 34.9 0.4 32 32 A A G < S+ 0 0 6 -3,-1.5 36,-2.1 -4,-0.4 -1,-0.3 0.638 121.0 22.6 -69.7 -15.0 14.9 36.5 -0.4 33 33 A V G <> S+ 0 0 7 -3,-1.5 4,-2.2 -4,-0.3 -1,-0.2 -0.074 81.0 135.3-142.7 36.7 16.3 33.1 -1.3 34 34 A S H <> S+ 0 0 74 -3,-0.9 4,-2.0 1,-0.2 5,-0.1 0.859 74.5 46.2 -56.4 -46.7 13.2 31.1 -2.2 35 35 A R H > S+ 0 0 158 2,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.907 111.9 51.8 -66.1 -41.4 14.5 29.5 -5.4 36 36 A A H 4>S+ 0 0 6 1,-0.2 5,-2.7 2,-0.2 6,-0.5 0.904 111.9 46.7 -61.6 -41.7 17.9 28.6 -3.8 37 37 A L H ><5S+ 0 0 60 -4,-2.2 3,-1.1 -7,-0.2 -1,-0.2 0.871 110.5 53.4 -66.9 -38.4 16.1 26.9 -0.9 38 38 A E H 3<5S+ 0 0 150 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.884 110.6 46.3 -63.6 -40.5 13.8 25.1 -3.3 39 39 A E T 3<5S- 0 0 106 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.265 114.9-115.3 -88.2 11.0 16.8 23.7 -5.2 40 40 A G T < 5S+ 0 0 67 -3,-1.1 -3,-0.2 -5,-0.1 -2,-0.1 0.741 85.5 115.0 62.8 26.6 18.6 22.7 -2.0 41 41 A R < + 0 0 120 -5,-2.7 2,-0.3 -6,-0.2 -4,-0.2 0.152 59.8 80.1-110.0 19.4 21.5 25.1 -2.5 42 42 A E - 0 0 18 -6,-0.5 2,-0.3 -5,-0.2 21,-0.1 -0.924 44.5-176.5-134.4 153.4 20.7 27.2 0.5 43 43 A R - 0 0 96 -2,-0.3 2,-0.6 2,-0.1 -6,-0.0 -0.795 21.1-160.5-145.3 89.2 21.2 27.3 4.3 44 44 A L + 0 0 5 -2,-0.3 2,-0.4 19,-0.1 19,-0.2 -0.689 17.3 170.7 -80.0 117.5 19.5 30.4 5.7 45 45 A L E +D 62 0A 0 17,-2.4 17,-3.2 -2,-0.6 2,-0.3 -0.961 2.4 163.7-126.8 145.3 20.8 31.3 9.2 46 46 A W E -D 61 0A 7 -2,-0.4 139,-0.4 137,-0.3 2,-0.3 -0.973 21.9-152.0-155.2 166.8 20.1 34.5 11.1 47 47 A R E -D 60 0A 6 13,-1.8 13,-2.3 -2,-0.3 2,-0.9 -0.966 17.7-138.3-149.0 128.6 20.2 36.1 14.6 48 48 A L E -D 59 0A 52 -2,-0.3 11,-0.2 134,-0.3 3,-0.1 -0.811 41.9-129.1 -83.0 109.1 18.1 38.8 16.2 49 49 A E - 0 0 33 9,-2.6 9,-0.2 -2,-0.9 -1,-0.0 -0.167 33.4 -74.7 -62.0 155.7 20.9 40.7 17.9 50 50 A P - 0 0 54 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.244 58.7-108.4 -51.8 135.2 20.8 41.7 21.6 51 51 A A - 0 0 98 -3,-0.1 2,-0.6 6,-0.1 3,-0.1 -0.429 22.5-156.8 -73.4 139.9 18.4 44.6 22.2 52 52 A R > - 0 0 192 3,-0.2 3,-1.7 -2,-0.2 2,-0.1 -0.893 56.2 -70.6-118.5 94.4 19.6 48.1 23.0 53 53 A G T 3 S- 0 0 73 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 -0.330 100.1 -32.4 62.0-126.5 16.8 49.9 24.8 54 54 A L T 3 S+ 0 0 173 -2,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.300 100.7 129.0-108.8 5.2 13.9 50.8 22.5 55 55 A E S < S- 0 0 130 -3,-1.7 -3,-0.2 1,-0.2 0, 0.0 -0.152 74.6 -74.0 -62.4 156.0 16.1 51.3 19.4 56 56 A P - 0 0 58 0, 0.0 -1,-0.2 0, 0.0 -47,-0.1 -0.243 57.0-113.1 -53.4 128.1 15.3 49.5 16.0 57 57 A P - 0 0 35 0, 0.0 -49,-1.9 0, 0.0 2,-0.5 -0.348 25.0-140.7 -66.0 144.7 16.2 45.8 16.3 58 58 A V E -A 7 0A 49 -51,-0.2 -9,-2.6 -9,-0.2 2,-0.5 -0.927 13.5-168.0-112.0 130.1 19.1 44.5 14.1 59 59 A V E -AD 6 48A 0 -53,-3.1 -53,-2.8 -2,-0.5 2,-0.5 -0.983 8.8-153.3-119.9 120.9 18.9 41.1 12.4 60 60 A L E -AD 5 47A 21 -13,-2.3 -13,-1.8 -2,-0.5 2,-0.5 -0.842 15.6-164.2 -93.9 126.9 22.1 39.6 10.9 61 61 A V E -AD 4 46A 0 -57,-3.2 -57,-2.9 -2,-0.5 2,-0.4 -0.945 8.6-168.3-119.8 130.8 21.4 37.3 8.0 62 62 A Q E +AD 3 45A 2 -17,-3.2 -17,-2.4 -2,-0.5 2,-0.3 -0.958 13.1 167.9-117.8 131.6 23.7 34.8 6.5 63 63 A T E -A 2 0A 1 -61,-2.3 -61,-2.7 -2,-0.4 -19,-0.1 -0.911 37.7-136.8-135.9 160.3 23.0 33.0 3.2 64 64 A L S S+ 0 0 60 -2,-0.3 2,-0.2 -63,-0.2 -22,-0.1 0.801 92.1 45.3 -85.2 -33.1 25.0 30.8 0.8 65 65 A T S S- 0 0 32 -63,-0.1 -63,-0.1 1,-0.1 -22,-0.1 -0.666 104.7 -81.7-108.7 164.0 23.6 32.5 -2.3 66 66 A E - 0 0 132 -2,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.487 50.5-135.5 -67.8 120.5 23.0 36.2 -3.1 67 67 A P - 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0 0 80 -75,-2.2 -75,-0.3 -2,-0.6 3,-0.1 -0.709 42.8 -84.4 -85.8 139.1 22.3 47.4 4.3 81 81 A P - 0 0 99 0, 0.0 -76,-0.1 0, 0.0 -1,-0.1 -0.168 50.0-113.6 -44.7 119.3 24.1 46.2 1.2 82 82 A P - 0 0 41 0, 0.0 -78,-0.2 0, 0.0 -16,-0.0 -0.356 33.4-150.0 -58.0 136.5 24.7 42.4 1.4 83 83 A K E -B 3 0A 119 -80,-2.7 -80,-2.7 -3,-0.1 -3,-0.0 -0.937 14.7-116.5-116.2 135.7 28.4 41.7 1.6 84 84 A P E -B 2 0A 82 0, 0.0 2,-0.4 0, 0.0 -82,-0.3 -0.393 28.7-158.3 -65.5 144.2 30.2 38.5 0.4 85 85 A F + 0 0 43 -84,-3.4 -2,-0.0 2,-0.1 0, 0.0 -0.918 31.3 147.4-132.6 104.0 31.7 36.6 3.2 86 86 A H - 0 0 145 -2,-0.4 82,-0.0 2,-0.0 -84,-0.0 -0.719 34.9-154.6-135.6 81.7 34.6 34.2 2.4 87 87 A P - 0 0 32 0, 0.0 2,-0.9 0, 0.0 -2,-0.1 -0.251 13.0-133.5 -64.3 140.1 36.8 34.2 5.5 88 88 A A - 0 0 72 2,-0.0 2,-0.3 80,-0.0 -2,-0.0 -0.867 33.9-172.6 -94.4 102.3 40.5 33.3 5.3 89 89 A L - 0 0 30 -2,-0.9 79,-0.0 75,-0.1 76,-0.0 -0.796 8.3-179.5-101.8 143.9 40.9 30.9 8.2 90 90 A K > - 0 0 106 -2,-0.3 3,-2.1 74,-0.1 71,-0.4 -0.974 39.2 -84.6-139.9 151.8 44.2 29.5 9.4 91 91 A P T 3 S+ 0 0 96 0, 0.0 71,-0.2 0, 0.0 3,-0.1 -0.290 114.9 13.8 -55.1 134.6 45.3 27.0 12.2 92 92 A G T 3 S+ 0 0 40 69,-2.7 2,-0.2 1,-0.3 70,-0.1 0.345 86.1 149.3 81.8 -8.1 45.7 28.8 15.5 93 93 A Q < - 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